methyl 6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-(1-oxopropylamino)-6-[(4-phenyl-1-piperidin-1-iumyl)methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3-(propanoylamino)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3-propionamido-thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(SC2=C1C=CC(=N2)C[NH+]3CCC(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=C(SC2=C1C=CC(=N2)C[NH+]3CCC(CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H27N3O3S/c1-3-20(28)26-21-19-10-9-18(25-23(19)31-22(21)24(29)30-2)15-27-13-11-17(12-14-27)16-7-5-4-6-8-16/h4-10,17H,3,11-15H2,1-2H3,(H,26,28)/p+1